Cinnamoyl-glucose

Details

• Internal ID: 72798ae4-8b57-4137-a766-9036d0e106e0
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
• IUPAC Name: (5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-phenylnon-1-ene-3,4-dione
• SMILES (Canonical): C1=CC=C(C=C1)C=CC(=O)C(=O)C(C(C(C(CO)O)O)O)O
• SMILES (Isomeric): C1=CC=C(C=C1)C=CC(=O)C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• InChI: InChI=1S/C15H18O7/c16-8-11(18)13(20)15(22)14(21)12(19)10(17)7-6-9-4-2-1-3-5-9/h1-7,11,13-16,18,20-22H,8H2/t11-,13-,14+,15+/m1/s1
• InChI Key: WQXLIQOGSDUBLF-RZFFKMDDSA-N
• Popularity: 13 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₈O₇
• Molecular Weight: 310.30 g/mol
• Exact Mass: 310.10525291 g/mol
• Topological Polar Surface Area (TPSA): 135.00 Ų
• XlogP: -1.50

Synonyms

• SCHEMBL4809736

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	94.17%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.29%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.01%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.13%	86.33%
CHEMBL2581	P07339	Cathepsin D	90.73%	98.95%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	89.14%	94.62%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.57%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	87.52%	90.17%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.17%	95.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 69199887
• LOTUS: LTS0053803
• wikiData: Q105311048